PubChemLite - Trans-zeatin-riboside (C15H21N5O5)

Structural Information

Molecular Formula

SMILES

C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO

InChI

InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1

InChIKey

GOSWTRUMMSCNCW-HNNGNKQASA-N

Compound name

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.16155	180.7
[M+Na]+	374.14349	187.8
[M-H]-	350.14699	180.1
[M+NH4]+	369.18809	188.9
[M+K]+	390.11743	184.1
[M+H-H2O]+	334.15153	172.6
[M+HCOO]-	396.15247	193.5
[M+CH3COO]-	410.16812	206.9
[M+Na-2H]-	372.12894	179.8
[M]+	351.15372	181.6
[M]-	351.15482	181.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.16155

180.7

[M+Na]+

374.14349

187.8

[M-H]-

350.14699

180.1

[M+NH4]+

369.18809

188.9

[M+K]+

390.11743

184.1

[M+H-H2O]+

334.15153

172.6

[M+HCOO]-

396.15247

193.5

[M+CH3COO]-

410.16812

206.9

[M+Na-2H]-

372.12894

179.8

[M]+

351.15372

181.6

[M]-

351.15482

181.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Trans-zeatin-riboside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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